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2C6G
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BU of 2c6g by Molmil
Membrane-bound glutamate carboxypeptidase II (GCPII) with bound glutamate
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ...
著者Mesters, J.R, Barinka, C, Li, W, Tsukamoto, T, Majer, P, Slusher, B.S, Konvalinka, J, Hilgenfeld, R.
登録日2005-11-09
公開日2006-02-15
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structure of glutamate carboxypeptidase II, a drug target in neuronal damage and prostate cancer.
EMBO J., 25, 2006
1TV2
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BU of 1tv2 by Molmil
Crystal structure of the hydroxylamine MtmB complex
分子名称: 5-HYDROXYAMINO-3-METHYL-PYRROLIDINE-2-CARBOXYLIC ACID, Monomethylamine methyltransferase mtmB1
著者Hao, B, Zhao, G, Kang, P.T, Soares, J.A, Ferguson, T.K, Gallucci, J, Krzycki, J.A, Chan, M.K.
登録日2004-06-26
公開日2004-10-19
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Reactivity and chemical synthesis of L-pyrrolysine- the 22(nd) genetically encoded amino acid
Chem.Biol., 11, 2004
3AXG
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BU of 3axg by Molmil
Structure of 6-aminohexanoate-oligomer hydrolase
分子名称: Endotype 6-aminohexanoat-oligomer hydrolase, SODIUM ION
著者Negoro, S, Shibata, N, Tanaka, Y, Yasuhira, K, Shibata, H, Hashimoto, H, Lee, Y.H, Ohshima, S, Santa, R, Mochiji, K, Goto, Y, Ikegami, T, Nagai, K, Kato, D, Takeo, M, Higuchi, Y.
登録日2011-04-04
公開日2011-12-21
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Three-dimensional structure of nylon hydrolase and mechanism of nylon-6 hydrolysis
J.Biol.Chem., 287, 2012
5G2B
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BU of 5g2b by Molmil
Crystal structure of T. brucei PDE-B1 catalytic domain with inhibitor NPD-008
分子名称: CLASS 1 PHOSPHODIESTERASE PDEB1, FORMIC ACID, GLYCEROL, ...
著者Singh, A.K, Anthonyrajah, E.S, Brown, D.G.
登録日2016-04-07
公開日2017-11-29
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.83 Å)
主引用文献Targeting a Subpocket in Trypanosoma brucei Phosphodiesterase B1 (TbrPDEB1) Enables the Structure-Based Discovery of Selective Inhibitors with Trypanocidal Activity.
J. Med. Chem., 61, 2018
8J1V
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BU of 8j1v by Molmil
Cryo-EM structure of SARS-CoV2 Omicron BA.5 spike in complex with 8-9D Fabs
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 8-9D heavy chain, 8-9D light chain, ...
著者Xiang, Y, Li, R.
登録日2023-04-13
公開日2023-11-29
最終更新日2023-12-20
実験手法ELECTRON MICROSCOPY (3.01 Å)
主引用文献A lung-selective delivery of mRNA encoding broadly neutralizing antibody against SARS-CoV-2 infection.
Nat Commun, 14, 2023
7EK4
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BU of 7ek4 by Molmil
prawn ferritin to coordinate with heavy metal ions
分子名称: FE (III) ION, Ferritin, MERCURY (II) ION
著者Wang, Y, Zang, J.
登録日2021-04-03
公開日2021-12-29
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structural Insights for the Stronger Ability of Shrimp Ferritin to Coordinate with Heavy Metal Ions as Compared to Human H-Chain Ferritin.
Int J Mol Sci, 22, 2021
5GGU
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BU of 5ggu by Molmil
Crystal structure of tremelimumab Fab
分子名称: heavy chain, light chain
著者Heo, Y.S.
登録日2016-06-16
公開日2016-11-09
最終更新日2016-11-16
実験手法X-RAY DIFFRACTION (2.292 Å)
主引用文献Structural basis of checkpoint blockade by monoclonal antibodies in cancer immunotherapy
Nat Commun, 7, 2016
7EK7
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BU of 7ek7 by Molmil
prawn ferritin to coordinate with heavy metal ions
分子名称: Ferritin, MERCURY (II) ION
著者Wang, Y, Zang, J.
登録日2021-04-04
公開日2021-12-29
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Structural Insights for the Stronger Ability of Shrimp Ferritin to Coordinate with Heavy Metal Ions as Compared to Human H-Chain Ferritin.
Int J Mol Sci, 22, 2021
7EK5
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BU of 7ek5 by Molmil
prawn ferritin to coordinate with heavy metal ions
分子名称: CADMIUM ION, FE (III) ION, Ferritin
著者Wang, Y, Zang, J.
登録日2021-04-03
公開日2021-12-29
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Structural Insights for the Stronger Ability of Shrimp Ferritin to Coordinate with Heavy Metal Ions as Compared to Human H-Chain Ferritin.
Int J Mol Sci, 22, 2021
7OAO
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BU of 7oao by Molmil
Nanobody C5 bound to RBD
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, C5 nanobody, ...
著者Naismith, J.H, Mikolajek, H.
登録日2021-04-19
公開日2021-08-11
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献A potent SARS-CoV-2 neutralising nanobody shows therapeutic efficacy in the Syrian golden hamster model of COVID-19.
Nat Commun, 12, 2021
7OAQ
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BU of 7oaq by Molmil
Nanobody H3 AND C1 bound to RBD with Kent mutation
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, CITRIC ACID, ...
著者Naismith, J.H, Mikolajek, H.
登録日2021-04-20
公開日2021-08-11
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献A potent SARS-CoV-2 neutralising nanobody shows therapeutic efficacy in the Syrian golden hamster model of COVID-19.
Nat Commun, 12, 2021
4MWJ
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BU of 4mwj by Molmil
Anhui N9
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, Neuraminidase, ...
著者Wu, Y, Qi, J.X, Gao, F, Gao, G.F.
登録日2013-09-25
公開日2013-11-20
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Characterization of two distinct neuraminidases from avian-origin human-infecting H7N9 influenza viruses
Cell Res., 23, 2013
4MWW
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BU of 4mww by Molmil
Shanghai N9-oseltamivir carboxylate
分子名称: (3R,4R,5S)-4-(acetylamino)-5-amino-3-(pentan-3-yloxy)cyclohex-1-ene-1-carboxylic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ...
著者Wu, Y, Qi, J.X, Gao, F, Gao, G.F.
登録日2013-09-25
公開日2013-11-20
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Characterization of two distinct neuraminidases from avian-origin human-infecting H7N9 influenza viruses
Cell Res., 23, 2013
7OAP
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BU of 7oap by Molmil
Nanobody H3 AND C1 bound to RBD
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, C1 nanobody, CHLORIDE ION, ...
著者Naismith, J.H, Mikolajek, H.
登録日2021-04-19
公開日2021-08-11
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.901 Å)
主引用文献A potent SARS-CoV-2 neutralising nanobody shows therapeutic efficacy in the Syrian golden hamster model of COVID-19.
Nat Commun, 12, 2021
8J1T
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BU of 8j1t by Molmil
Local refined cryo-EM structure of Omicron BA.5 RBD in complex with 8-9D Fab
分子名称: 8-9D heavy chain, 8-9D light chain, Spike protein
著者Xiang, Y, Li, R.
登録日2023-04-13
公開日2023-11-29
最終更新日2023-12-20
実験手法ELECTRON MICROSCOPY (3.3 Å)
主引用文献A lung-selective delivery of mRNA encoding broadly neutralizing antibody against SARS-CoV-2 infection.
Nat Commun, 14, 2023
2C65
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BU of 2c65 by Molmil
MAO inhibition by rasagiline analogues
分子名称: (1R)-4-({[ETHYL(METHYL)AMINO]CARBONYL}OXY)-N-METHYL-N-[(1E)-PROP-2-EN-1-YLIDENE]INDAN-1-AMINIUM, AMINE OXIDASE [FLAVIN-CONTAINING] B, FLAVIN-ADENINE DINUCLEOTIDE
著者Binda, C, Hubalek, F, Li, M, Herzig, Y, Sterling, J, Edmondson, D.E, Mattevi, A.
登録日2005-11-07
公開日2006-01-04
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Binding of Rasagiline-Related Inhibitors to Human Monoamine Oxidases: A Kinetic and Crystallographic Analysis.
J.Med.Chem., 48, 2005
1TV4
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BU of 1tv4 by Molmil
Crystal structure of the sulfite MtmB complex
分子名称: 3-METHYL-5-SULFO-PYRROLIDINE-2-CARBOXYLIC ACID, Monomethylamine methyltransferase mtmB1, SULFATE ION
著者Hao, B, Zhao, G, Kang, P.T, Soares, J.A, Ferguson, T.K, Gallucci, J, Krzycki, J.A, Chan, M.K.
登録日2004-06-26
公開日2004-10-19
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Reactivity and chemical synthesis of L-pyrrolysine- the 22(nd) genetically encoded amino acid
Chem.Biol., 11, 2004
7OAN
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BU of 7oan by Molmil
Nanobody C5 bound to Spike
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein, ...
著者Naismith, J.H, Weckener, M.
登録日2021-04-19
公開日2021-08-11
最終更新日2021-10-06
実験手法ELECTRON MICROSCOPY (3 Å)
主引用文献A potent SARS-CoV-2 neutralising nanobody shows therapeutic efficacy in the Syrian golden hamster model of COVID-19.
Nat Commun, 12, 2021
7OFV
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BU of 7ofv by Molmil
NMR-guided design of potent and selective EphA4 agonistic ligands
分子名称: ACETATE ION, EphA4 agonist ligand, Ephrin type-A receptor 4
著者Ganichkin, O.M, Craig, T.K, Baggio, C, Pellecchia, M.
登録日2021-05-05
公開日2021-08-11
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.43 Å)
主引用文献NMR-Guided Design of Potent and Selective EphA4 Agonistic Ligands.
J.Med.Chem., 64, 2021
7OAY
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BU of 7oay by Molmil
Nanobody F2 bound to RBD
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, F2 nanobody, Spike protein S1
著者Naismith, J.H, Mikolajek, H.
登録日2021-04-20
公開日2021-08-11
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.34 Å)
主引用文献A potent SARS-CoV-2 neutralising nanobody shows therapeutic efficacy in the Syrian golden hamster model of COVID-19.
Nat Commun, 12, 2021
2YE2
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BU of 2ye2 by Molmil
HSP90 inhibitors and drugs from fragment and virtual screening
分子名称: HEAT SHOCK PROTEIN HSP 90-ALPHA, METHYL 2-(3,5-DIHYDROXYPHENYL)ETHANOATE, SULFATE ION
著者Roughley, S.D, Hubbard, R.E, Baker, L.M.
登録日2011-03-25
公開日2011-06-15
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献How Well Can Fragments Explore Accessed Chemical Space? a Case Study from Heat Shock Protein 90.
J.Med.Chem., 54, 2011
7OAU
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BU of 7oau by Molmil
Nanobody C5 bound to Kent variant RBD (N501Y)
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, C5, GLYCEROL, ...
著者Naismith, J.H, Mikolajek, H.
登録日2021-04-20
公開日2021-08-11
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献A potent SARS-CoV-2 neutralising nanobody shows therapeutic efficacy in the Syrian golden hamster model of COVID-19.
Nat Commun, 12, 2021
2YED
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BU of 2yed by Molmil
HSP90 inhibitors and drugs from fragment and virtual screening
分子名称: ADENINE, CHLORIDE ION, HEAT SHOCK PROTEIN HSP 90-ALPHA
著者Roughley, S.D, Hubbard, R.E, Baker, L.M.
登録日2011-03-25
公開日2011-06-15
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献How Well Can Fragments Explore Accessed Chemical Space? a Case Study from Heat Shock Protein 90.
J.Med.Chem., 54, 2011
2YHI
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BU of 2yhi by Molmil
Trypanosoma brucei PTR1 in complex with inhibitor WH16
分子名称: (2R,3S)-1,4-DIMERCAPTOBUTANE-2,3-DIOL, (2S,3S)-1,4-DIMERCAPTOBUTANE-2,3-DIOL, 2,3-DIHYDROXY-1,4-DITHIOBUTANE, ...
著者Nerini, E, Dawson, A, Hunter, W.N, Costi, M.P.
登録日2011-05-03
公開日2012-05-23
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Exploiting the 2-Amino-1,3,4-thiadiazole Scaffold To Inhibit Trypanosoma brucei Pteridine Reductase in Support of Early-Stage Drug Discovery.
ACS Omega, 2, 2017
5GGS
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BU of 5ggs by Molmil
PD-1 in complex with pembrolizumab Fab
分子名称: Programmed cell death protein 1, heavy chain, light chain
著者Heo, Y.S.
登録日2016-06-16
公開日2016-11-09
最終更新日2016-11-16
実験手法X-RAY DIFFRACTION (1.997 Å)
主引用文献Structural basis of checkpoint blockade by monoclonal antibodies in cancer immunotherapy
Nat Commun, 7, 2016

223790

件を2024-08-14に公開中

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